[(1S,4R)-4-(2-azanyl-6-chloranyl-purin-9-yl)cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [(1S,4R)-4-(2-azanyl-6-chloranyl-purin-9-yl)cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [(1S,4R)-4-(2-amino-6-chloro-purin-9-yl)cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(1S,4R)-4-(2-amino-6-chloro-9-purinyl)-1-cyclopent-2-enyl]methyl ester IUPAC Name: [(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1S,4R)-4-(2-amino-6-chloro-purin-9-yl)cyclopent-2-en-1-yl]methyl ester Formula: C16H20ClN5O2 MolecularWeight: 349.8153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1CC(C=C1)N2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

CC(C)(C)C(=O)OC[C@H]1C[C@H](C=C1)N2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C16H20ClN5O2/c1-16(2,3)14(23)24-7-9-4-5-10(6-9)22-8-19-11-12(17)20-15(18)21-13(11)22/h4-5,8-10H,6-7H2,1-3H3,(H2,18,20,21)/t9-,10+/m1/s1